5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid

C8H5N5O2S — CID 82377862

IUPAC5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1-c1cnc2sccn12
InChIInChI=1S/C8H5N5O2S/c14-7(15)6-5(10-12-11-6)4-3-9-8-13(4)1-2-16-8/h1-3H,(H,14,15)(H,10,11,12)
InChIKeyMJSIICFOJNQQNO-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.88
Rot. Bonds2

About 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid

5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid (PubChem CID 82377862) has the molecular formula C8H5N5O2S and a molecular weight of 235.23 g/mol. Its IUPAC name is 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid
PubChem CID82377862
Molecular FormulaC8H5N5O2S
Molecular Weight235.23 g/mol
Exact Mass235.02
IUPAC Name5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1-c1cnc2sccn12
InChIInChI=1S/C8H5N5O2S/c14-7(15)6-5(10-12-11-6)4-3-9-8-13(4)1-2-16-8/h1-3H,(H,14,15)(H,10,11,12)
InChIKeyMJSIICFOJNQQNO-UHFFFAOYSA-N
XLogP0.88
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid (CID 82377862) is 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1-c1cnc2sccn12.
What is the InChIKey of 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid?
The InChIKey is MJSIICFOJNQQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2S/c14-7(15)6-5(10-12-11-6)4-3-9-8-13(4)1-2-16-8/h1-3H,(H,14,15)(H,10,11,12).
What are the key properties of 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid?
5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid has a molecular weight of 235.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 82377862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).